4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide

C16H24N2O3S — CID 3156904

IUPAC4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-2-11-17-22(20,21)15-8-5-14(6-9-15)7-10-16(19)18-12-3-4-13-18/h5-6,8-9,17H,2-4,7,10-13H2,1H3
InChIKeyOBTSHSJEJWQCHM-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.93
Rot. Bonds7

About 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide

4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide (PubChem CID 3156904) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
PubChem CID3156904
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O3S/c1-2-11-17-22(20,21)15-8-5-14(6-9-15)7-10-16(19)18-12-3-4-13-18/h5-6,8-9,17H,2-4,7,10-13H2,1H3
InChIKeyOBTSHSJEJWQCHM-UHFFFAOYSA-N
XLogP1.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide?
The IUPAC name of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide (CID 3156904) is 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide?
The canonical SMILES for 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide?
The InChIKey is OBTSHSJEJWQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-11-17-22(20,21)15-8-5-14(6-9-15)7-10-16(19)18-12-3-4-13-18/h5-6,8-9,17H,2-4,7,10-13H2,1H3.
What are the key properties of 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide?
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 3156904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).